ChemSpider 2D Image | 1-(4-Chlorophenyl)-2-(2-ethylbenzyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine | C23H25ClN2

1-(4-Chlorophenyl)-2-(2-ethylbenzyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

  • Molecular FormulaC23H25ClN2
  • Average mass364.911 Da
  • Monoisotopic mass364.170624 Da
  • ChemSpider ID22651311

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-Chlorophenyl)-2-(2-ethylbenzyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine [ACD/IUPAC Name]
1-(4-Chlorophényl)-2-(2-éthylbenzyl)-2,3,4,5-tétrahydro-1H-pyrrolo[1,2-a][1,4]diazépine [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-2-(2-ethylbenzyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin [German] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a][1,4]diazepine, 1-(4-chlorophenyl)-2-[(2-ethylphenyl)methyl]-2,3,4,5-tetrahydro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 478.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.1±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 65.63
ACD/KOC (pH 5.5): 173.53
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3053.47
ACD/KOC (pH 7.4): 8074.29
Polar Surface Area: 8 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 318.7±7.0 cm3

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